N-[2-(azepan-1-yl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide

C19H29N3O2 — CID 3226886

IUPACN-[2-(azepan-1-yl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide
SMILESO=C(CNCC1CCCO1)Nc1ccccc1N1CCCCCC1
InChIInChI=1S/C19H29N3O2/c23-19(15-20-14-16-8-7-13-24-16)21-17-9-3-4-10-18(17)22-11-5-1-2-6-12-22/h3-4,9-10,16,20H,1-2,5-8,11-15H2,(H,21,23)
InChIKeyRXSJWJBTZZQMAZ-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.77
Rot. Bonds6

About N-[2-(azepan-1-yl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide

N-[2-(azepan-1-yl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide (PubChem CID 3226886) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide
PubChem CID3226886
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC NameN-[2-(azepan-1-yl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide
SMILESO=C(CNCC1CCCO1)Nc1ccccc1N1CCCCCC1
InChIInChI=1S/C19H29N3O2/c23-19(15-20-14-16-8-7-13-24-16)21-17-9-3-4-10-18(17)22-11-5-1-2-6-12-22/h3-4,9-10,16,20H,1-2,5-8,11-15H2,(H,21,23)
InChIKeyRXSJWJBTZZQMAZ-UHFFFAOYSA-N
XLogP2.77
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(oxolan-2-ylmethylamino)-N-(2-pyrrol-1-ylphenyl)acetamide
CID 645953
N-(2-cyanophenyl)-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 1439761
N-(2,3-dimethylphenyl)-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 2078790
N-(2-morpholin-4-ylphenyl)-2-(oxan-2-yl)acetamide
CID 110425335
2-(cyclopentylamino)-N-(2-piperidin-1-ylphenyl)acetamide
CID 43816730
1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(oxolan-2-ylmethylamino)ethanone;dihydrochloride
CID 119827710
N-[2-(difluoromethylsulfanyl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119687133
2-(oxolan-2-ylmethylamino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 54815711
3-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-(2-piperidin-1-ylphenyl)benzamide
CID 40847436
N-(2,6-dipyrrolidin-1-ylphenyl)-2-[(2S)-oxolan-2-yl]acetamide
CID 95620224
N-(2,6-dipyrrolidin-1-ylphenyl)-2-(oxolan-2-yl)acetamide
CID 56786552
N-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 113000271

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide?
The IUPAC name of N-[2-(azepan-1-yl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide (CID 3226886) is N-[2-(azepan-1-yl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide.
What is the SMILES notation for N-[2-(azepan-1-yl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide?
The canonical SMILES for N-[2-(azepan-1-yl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide is O=C(CNCC1CCCO1)Nc1ccccc1N1CCCCCC1.
What is the InChIKey of N-[2-(azepan-1-yl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide?
The InChIKey is RXSJWJBTZZQMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c23-19(15-20-14-16-8-7-13-24-16)21-17-9-3-4-10-18(17)22-11-5-1-2-6-12-22/h3-4,9-10,16,20H,1-2,5-8,11-15H2,(H,21,23).
What are the key properties of N-[2-(azepan-1-yl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide?
N-[2-(azepan-1-yl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide has a molecular weight of 331.46 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide is sourced from PubChem (CID 3226886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).